Rusińska-Roszak D - Search Results

1

Experimental and in silico investigations of organic phosphates and phosphonates sorption on polymer-ceramic monolithic materials and hydroxyapatite.

Pietrzyńska M, Zembrzuska J, Tomczak R, Mikołajczyk J, Rusińska-Roszak D, Voelkel A, Buchwald T, Jampílek J, Lukáč M, Devínsky F. Pietrzyńska M, et al. Among authors: rusinska roszak d. Eur J Pharm Sci. 2016 Oct 10;93:295-303. doi: 10.1016/j.ejps.2016.08.033. Epub 2016 Aug 21. Eur J Pharm Sci. 2016. PMID: 27552905

2

Estimation of the breakthrough volume of selected steroids for C-18 solid-phase extraction sorbent using retention data from micro-thin layer chromatography.

Bielicka-Daszkiewicz K, Voelkel A, Rusińska-Roszak D, Zarzycki PK. Bielicka-Daszkiewicz K, et al. J Sep Sci. 2013 Mar;36(6):1104-11. doi: 10.1002/jssc.201200917. Epub 2013 Feb 25. J Sep Sci. 2013. PMID: 23436776

3

De(side chain) model of epothilone: bioconformer interconversions DFT study.

Rusinska-Roszak D, Lozynski M. Rusinska-Roszak D, et al. J Mol Model. 2009 Jul;15(7):859-69. doi: 10.1007/s00894-008-0428-3. Epub 2009 Jan 20. J Mol Model. 2009. PMID: 19153781

4

Intramolecular O-H···O═C hydrogen bond energy via the molecular tailoring approach to RAHB structures.

Rusinska-Roszak D. Rusinska-Roszak D. J Phys Chem A. 2015 Apr 16;119(15):3674-87. doi: 10.1021/acs.jpca.5b02343. Epub 2015 Apr 1. J Phys Chem A. 2015. PMID: 25785364

5

Estimation of the intramolecular O-H···O═C hydrogen bond energy via the molecular tailoring approach. Part I: aliphatic structures.

Rusinska-Roszak D, Sowinski G. Rusinska-Roszak D, et al. J Chem Inf Model. 2014 Jul 28;54(7):1963-77. doi: 10.1021/ci500107w. Epub 2014 Jun 27. J Chem Inf Model. 2014. PMID: 24921685

6

Extended and clustered conformers of epothilone A.

Rusinska-Roszak D, Tatka H, Pawlak R, Lozynski M. Rusinska-Roszak D, et al. J Phys Chem B. 2011 Apr 7;115(13):3698-707. doi: 10.1021/jp112353p. Epub 2011 Mar 15. J Phys Chem B. 2011. PMID: 21405036

7

Finding the direct energy-structure correlations in intramolecular aromaticity assisted hydrogen bonding (AAHB).

Lozynski M, Rusinska-Roszak D. Lozynski M, et al. Among authors: rusinska roszak d. J Mol Graph Model. 2021 Jun;105:107884. doi: 10.1016/j.jmgm.2021.107884. Epub 2021 Mar 3. J Mol Graph Model. 2021. PMID: 33725643

8

Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study).

Lakdawala A, Wang M, Nevins N, Liotta DC, Rusinska-Roszak D, Lozynski M, Snyder JP. Lakdawala A, et al. BMC Chem Biol. 2001;1(1):2. doi: 10.1186/1472-6769-1-2. BMC Chem Biol. 2001. PMID: 11710970 Free PMC article.

9

Molecular tailoring approach as tool for revealing resonance-assisted hydrogen bond: Case study of Z-pyrrolylenones with the NH⋯OС intramolecular hydrogen bond.

Afonin AV, Rusinska-Roszak D. Afonin AV, et al. Among authors: rusinska roszak d. J Comput Chem. 2022 Sep 5;43(23):1596-1607. doi: 10.1002/jcc.26960. Epub 2022 Jul 19. J Comput Chem. 2022. PMID: 35851685 Review.

10

Energy of Intramolecular Hydrogen Bonding in ortho-Hydroxybenzaldehydes, Phenones and Quinones. Transfer of Aromaticity from ipso-Benzene Ring to the Enol System(s).

Rusinska-Roszak D. Rusinska-Roszak D. Molecules. 2017 Mar 18;22(3):481. doi: 10.3390/molecules22030481. Molecules. 2017. PMID: 28335484 Free PMC article.

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